Scine::Swoose  2.1.0
This is the SCINE module Swoose.
 All Classes Namespaces Files Functions Variables Typedefs Enumerations Enumerator Pages
Public Member Functions | List of all members
Scine::MMParametrization::DatabaseHelper Class Reference
Collaboration diagram for Scine::MMParametrization::DatabaseHelper:
Collaboration graph

Public Member Functions

 DatabaseHelper (ParametrizationData &data, const std::shared_ptr< Utils::Settings > &settings, Core::Log &log)
 Constructor.
 
 ~DatabaseHelper ()
 Destructor.
 
void dropDatabase ()
 Deletes the database.
 
void runCalculationsAndCollectResults ()
 Runs structure optimizations and other reference calculations (Hessians, charges, bond orders) and saves the results in the corresponding fields in the ParametrizationData object.
 
The documentation for this class was generated from the following files: